4-({2-bromo-5-methoxy-4-[(propan-2-yl)oxy]phenyl}methylidene)-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({2-bromo-5-methoxy-4-[(propan-2-yl)oxy]phenyl}methylidene)-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-({2-bromo-5-methoxy-4-[(propan-2-yl)oxy]phenyl}methylidene)-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-9111 |
| Compound Name: | 4-({2-bromo-5-methoxy-4-[(propan-2-yl)oxy]phenyl}methylidene)-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C22 H23 Br N2 O3 |
| Smiles: | CC(C)Oc1cc(c(/C=C2/C(C)=NN(C2=O)c2ccc(C)cc2)cc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8705 |
| logD: | 4.8705 |
| logSw: | -4.6389 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.106 |
| InChI Key: | CPRYREMEAKAQNP-UHFFFAOYSA-N |